potassium (3S)-3-[[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: potassium (3S)-3-[[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: potassium (3S)-3-[[2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-2-oxo-azetidine-1-sulfonate CAS Name: potassium (3S)-3-[[2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-2-oxo-1-azetidinesulfonate IUPAC Name: potassium (3S)-3-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-2-oxoazetidine-1-sulfonate Traditional Name: potassium (3S)-3-[[2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-2-keto-azetidine-1-sulfonate Formula: C18H20KN5O8S MolecularWeight: 505.5434

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3CN(C3=O)S(=O)(=O)[O-].[K+]

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)N[C@H]3CN(C3=O)S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C18H21N5O8S.K/c1-2-21-8-9-22(17(27)16(21)26)18(28)20-13(11-6-4-3-5-7-11)14(24)19-12-10-23(15(12)25)32(29,30)31;/h3-7,12-13H,2,8-10H2,1H3,(H,19,24)(H,20,28)(H,29,30,31);/q;+1/p-1/t12-,13?;/m0./s1